smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](OC(=O)N[C@H](CCC[P@@](=O)([O-])O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000098052577 211377799 /nfs/dbraw/zinc/37/77/99/211377799.db2.gz RLEANJAZNZWLHC-MWLCHTKSSA-N -2 0 390.285 1.793 10 5 in-vitro GDBERL C[C@H](OC(=O)N[C@H](CCC[P@@](=O)([O-])O)C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000098052576 570969159 /nfs/dbraw/zinc/96/91/59/570969159.db2.gz RLEANJAZNZWLHC-GXSJLCMTSA-N -2 0 390.285 1.793 10 5 in-vitro GDBERL